SCHEMBL27601606

SCHEMBL27601606

CNC(=O)[C@H](C[C@H](C)CC#N)N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.45
CTSS P25774 14/20 0.44
CTSL P07711 13/20 0.44
CTSB P07858 9/20 0.44
CTSF Q9UBX1 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27601610 0.86 CTSK (0.43) CTSKCTSSCTSLCTSB
SCHEMBL2157103 0.84 CTSK (0.65) CTSKCTSSCTSLCTSBCTSF
SCHEMBL27601607 0.81 CTSK (0.51) CTSKCTSSCTSLCTSBCTSF
SCHEMBL2157034 0.79 CTSK (0.66) CTSKCTSSCTSLCTSBCTSF
SCHEMBL4673385 0.79 CTSK (0.47) CTSKCTSSCTSLCTSBCTSF
SCHEMBL8350199 0.77 CTSK (0.49) CTSKCTSSCTSLCTSBCTSF
SCHEMBL27601615 0.71 CTSK (0.38) CTSKCTSSCTSLCTSB
SCHEMBL2156758 0.70 CTSK (0.67) CTSKCTSSCTSLCTSBCTSF
SCHEMBL2155770 0.70 CTSK (0.84) CTSKCTSSCTSLCTSBCTSF
SCHEMBL2156272 0.70 CTSK (0.66) CTSKCTSSCTSLCTSBCTSF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100430052-C Cathepsin cysteine protease inhibitors MERCK FROSST CANADA INC (CA) 2008-11-05 CN claimed
CN-1638757-A Cathepsin cysteine protease inhibitors MERCK FROSST CANADA INC (CA) 2005-07-13 CN claimed
CN-100430052-C Cathepsin cysteine protease inhibitors MERCK FROSST CANADA INC (CA) 2008-11-05 CN disclosed
CN-1638757-A Cathepsin cysteine protease inhibitors MERCK FROSST CANADA INC (CA) 2005-07-13 CN disclosed